N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride

C12H15ClN2O2 — CID 69484360

IUPACN-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC(N)CNC(=O)c1cc2ccccc2o1.Cl
InChIInChI=1S/C12H14N2O2.ClH/c1-8(13)7-14-12(15)11-6-9-4-2-3-5-10(9)16-11;/h2-6,8H,7,13H2,1H3,(H,14,15);1H
InChIKeyZRGSHOJIDWQZHI-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.93
Rot. Bonds3

About N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride

N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 69484360) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID69484360
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC(N)CNC(=O)c1cc2ccccc2o1.Cl
InChIInChI=1S/C12H14N2O2.ClH/c1-8(13)7-14-12(15)11-6-9-4-2-3-5-10(9)16-11;/h2-6,8H,7,13H2,1H3,(H,14,15);1H
InChIKeyZRGSHOJIDWQZHI-UHFFFAOYSA-N
XLogP1.93
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120654614
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride (CID 69484360) is N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride is CC(N)CNC(=O)c1cc2ccccc2o1.Cl.
What is the InChIKey of N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is ZRGSHOJIDWQZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.ClH/c1-8(13)7-14-12(15)11-6-9-4-2-3-5-10(9)16-11;/h2-6,8H,7,13H2,1H3,(H,14,15);1H.
What are the key properties of N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride?
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 69484360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).